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	hartrees
Energy at 0K	-925.051717
Energy at 298.15K
HF Energy	-924.921101
Nuclear repulsion energy	513.086866

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1043	909	241.53
2	A₁	804	701	5.48
3	A₁	729	636	0.00
4	A₁	566	493	64.82
5	A₁	408	356	21.39
6	A₁	248	216	0.18
7	A₂	390	340	0.00
8	A₂	286	249	0.00
9	B₁	1088	948	152.73
10	B₁	449	391	53.09
11	B₁	396	345	0.64
12	B₂	920	802	5.56
13	B₂	442	386	44.90
14	B₂	174	152	0.24
15	B₂	969i	845i	566.87

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.181
F2	0.000	1.288	1.181
F3	0.000	-1.288	1.181
F4	1.635	0.000	0.050
F5	-1.635	0.000	0.050
F6	0.000	0.873	-1.381
F7	0.000	-0.873	-1.381

	P1	F2	F3	F4	F5	F6	F7
P1		1.6311	1.6311	1.6398	1.6398	1.7892	1.7892
F2	1.6311		2.5770	2.3689	2.3689	2.5955	3.3520
F3	1.6311	2.5770		2.3689	2.3689	3.3520	2.5955
F4	1.6398	2.3689	2.3689		3.2691	2.3412	2.3412
F5	1.6398	2.3689	2.3689	3.2691		2.3412	2.3412
F6	1.7892	2.5955	3.3520	2.3412	2.3412		1.7461
F7	1.7892	3.3520	2.5955	2.3412	2.3412	1.7461

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	P1	F3	104.356	F2	P1	F4	92.807
F2	P1	F5	92.807	F2	P1	F6	98.617
F2	P1	F7	157.028	F3	P1	F4	92.807
F3	P1	F5	92.807	F3	P1	F6	157.028
F3	P1	F7	98.617	F4	P1	F5	170.837
F4	P1	F6	86.002	F4	P1	F7	86.002
F5	P1	F6	86.002	F5	P1	F7	86.002
F6	P1	F7	58.411

All results from a given calculation for PF₆ (Hexafluorophosphate neutral)

using model chemistry: MP2/STO-3G

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for PF6 (Hexafluorophosphate neutral)

using model chemistry: MP2/STO-3G

States and conformations

All results from a given calculation for PF₆ (Hexafluorophosphate neutral)